SCHEMBL9799359

SCHEMBL9799359

CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)O)C(=O)O.CN1C(C)(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(C)C2(C)C)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7106655 0.91 VCAM1 (0.30) VCAM1
SCHEMBL9374080 0.85
SCHEMBL9799355 0.82 VCAM1 (0.30) VCAM1
SCHEMBL333181 0.79 TBXAS1 (0.31)
SCHEMBL30130585 0.79 ALDH1A1 (0.34) MAOAMAOBGAAPKMHTT
SCHEMBL3632901 0.78 GAA (0.34) GAAPKMHTT
SCHEMBL1788650 0.76 ALDH1A1 (0.33) MAOAMAOBGAAPKMHTT
SCHEMBL8612815 0.76 VCAM1 (0.31) VCAM1
SCHEMBL193901 0.75 GAA (0.36) GAAPKMHTT
SCHEMBL462662 0.73 ALDH1A1 (0.49) GAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011739-A Moisture stable biasable transfer members and method for making same EASTMAN KODAK COMPANY (US) 1991-04-30 US disclosed
EP-0421299-A2 Moisture stable biasable transfer members and method for making same EASTMAN KODAK COMPANY (US) 1991-04-10 EP disclosed